2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

C24H21N3O2S — CID 17297277

IUPAC2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H21N3O2S/c1-17(30-16-18-8-4-2-5-9-18)22(28)25-21-14-12-20(13-15-21)24-27-26-23(29-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyWKTRTQJBYGFBKU-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.66
Rot. Bonds7

About 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 17297277) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID17297277
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H21N3O2S/c1-17(30-16-18-8-4-2-5-9-18)22(28)25-21-14-12-20(13-15-21)24-27-26-23(29-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyWKTRTQJBYGFBKU-UHFFFAOYSA-N
XLogP5.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 94810682
2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
CID 7389232
(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
(2S)-2-benzylsulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 40753519
(2S)-2-benzylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100500248
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
(2S)-2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 95288755
2-benzylsulfanyl-N-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1293770

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 17297277) is 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is CC(SCc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is WKTRTQJBYGFBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-17(30-16-18-8-4-2-5-9-18)22(28)25-21-14-12-20(13-15-21)24-27-26-23(29-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,25,28).
What are the key properties of 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 415.52 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 17297277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).